 
data_111 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C23 H21 Cu2 N5 O11' 
_chemical_formula_weight          670.53 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cu'  'Cu'   0.3201   1.2651 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            triclinic 
_symmetry_space_group_name_H-M    P-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    9.2751(19) 
_cell_length_b                    9.8616(17) 
_cell_length_c                    14.100(3) 
_cell_angle_alpha                 95.512(7) 
_cell_angle_beta                  102.830(6) 
_cell_angle_gamma                 96.382(6) 
_cell_volume                      1240.0(4) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     8540 
_cell_measurement_theta_min       2.475 
_cell_measurement_theta_max       25.845 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             blue
_exptl_crystal_size_max           0.36 
_exptl_crystal_size_mid           0.24 
_exptl_crystal_size_min           0.21 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.796 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              680 
_exptl_absorpt_coefficient_mu     1.789 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.5652 
_exptl_absorpt_correction_T_max   0.7051 
_exptl_absorpt_process_details    'SADABS; Bruker, 2000' 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Rigaku Saturn724 CCD'  
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             47427 
_diffrn_reflns_av_R_equivalents   0.0413 
_diffrn_reflns_av_sigmaI/netI     0.0193 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        11 
_diffrn_reflns_limit_l_min        -16 
_diffrn_reflns_limit_l_max        16 
_diffrn_reflns_theta_min          2.27 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              4352 
_reflns_number_gt                 3810 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0438P)²+0.7774P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4352 
_refine_ls_number_parameters      393 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0360 
_refine_ls_R_factor_gt            0.0284 
_refine_ls_wR_factor_ref          0.0725 
_refine_ls_wR_factor_gt           0.0694 
_refine_ls_goodness_of_fit_ref    1.026 
_refine_ls_restrained_S_all       1.027 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Cu1 Cu 0.65976(3) 0.78763(3) 0.90744(2) 0.01513(9) Uani 1 1 d . . . 
Cu2 Cu 0.40611(3) 0.54740(3) 0.75368(2) 0.01863(9) Uani 1 1 d . . . 
O5 O 0.7741(2) -0.02528(17) 0.93761(13) 0.0283(4) Uani 1 1 d . . . 
O1 O 0.78720(19) 0.63971(16) 0.92137(14) 0.0270(4) Uani 1 1 d . . . 
O7 O 0.5091(2) 0.7332(2) 0.79065(15) 0.0303(5) Uani 1 1 d . . . 
O3 O 1.25005(19) 0.51013(17) 0.82934(13) 0.0273(4) Uani 1 1 d . . . 
O2 O 0.58776(19) 0.48206(18) 0.85902(15) 0.0301(4) Uani 1 1 d . . . 
O6 O 0.8224(3) -0.06216(19) 0.79157(16) 0.0449(6) Uani 1 1 d . . . 
O4 O 1.2364(2) 0.2975(2) 0.76091(19) 0.0490(6) Uani 1 1 d . . . 
N5 N 0.2530(2) 0.6008(2) 0.62663(17) 0.0315(5) Uani 1 1 d . . . 
N1 N 0.6408(2) 0.22645(19) 0.91450(15) 0.0186(4) Uani 1 1 d . . . 
N3 N 0.4567(2) 0.2014(2) 0.98570(16) 0.0244(5) Uani 1 1 d . . . 
N4 N 0.4390(2) 0.4098(2) 0.63975(17) 0.0295(5) Uani 1 1 d . . . 
O9 O 0.8737(4) 0.0066(3) 0.6061(2) 0.0774(9) Uani 1 1 d G . . 
H9A H 0.8497 -0.0236 0.6558 0.116 Uiso 1 1 d G . . 
H9B H 0.8193 -0.0398 0.5541 0.116 Uiso 1 1 d G . . 
N2 N 0.5344(2) 0.1319(2) 0.85250(16) 0.0273(5) Uani 1 1 d . . . 
O10 O 0.4261(3) -0.0491(2) 0.67525(19) 0.0586(7) Uani 1 1 d G . . 
H10A H 0.3397 -0.0267 0.6549 0.088 Uiso 1 1 d GD . . 
H10B H 0.4778 0.0127 0.7197 0.088 Uiso 1 1 d G . . 
O11 O 0.1747(3) 0.0854(3) 0.6067(2) 0.0621(7) Uani 1 1 d G . . 
H11A H 0.1102 0.0346 0.6265 0.093 Uiso 1 1 d GD . . 
H11B H 0.2052 0.1582 0.6469 0.093 Uiso 1 1 d G . . 
C4 C 1.0497(3) 0.3465(2) 0.84425(17) 0.0175(5) Uani 1 1 d . . . 
C1 C 0.7240(3) 0.5180(2) 0.89180(18) 0.0192(5) Uani 1 1 d . . . 
C3 C 0.9660(2) 0.4456(2) 0.87098(17) 0.0169(5) Uani 1 1 d . . . 
H3 H 1.0034 0.5382 0.8763 0.020 Uiso 1 1 calc R . . 
C6 C 0.8653(3) 0.1678(2) 0.86722(18) 0.0201(5) Uani 1 1 d . . . 
C10 C 1.1904(3) 0.3860(3) 0.80964(18) 0.0218(5) Uani 1 1 d . . . 
C5 C 0.9972(3) 0.2085(2) 0.84077(18) 0.0214(5) Uani 1 1 d . . . 
H5 H 1.0514 0.1421 0.8203 0.026 Uiso 1 1 calc R . . 
C7 C 0.7805(3) 0.2684(2) 0.89129(17) 0.0173(5) Uani 1 1 d . . . 
C2 C 0.8271(2) 0.4086(2) 0.88997(17) 0.0158(5) Uani 1 1 d . . . 
C11 C 0.8163(3) 0.0148(2) 0.8637(2) 0.0240(6) Uani 1 1 d . . . 
O8 O 0.8687(4) 0.1421(5) 1.1347(3) 0.1081(12) Uani 1 1 d G . . 
H8A H 0.8745 0.0909 1.0841 0.162 Uiso 1 1 d G . . 
H8B H 0.9548 0.1624 1.1731 0.162 Uiso 1 1 d G . . 
C8 C 0.5930(3) 0.2661(2) 0.99338(19) 0.0225(5) Uani 1 1 d . . . 
H8 H 0.6466 0.3295 1.0459 0.027 Uiso 1 1 calc R . . 
C9 C 0.4264(3) 0.1197(3) 0.8984(2) 0.0266(6) Uani 1 1 d . . . 
H9 H 0.3374 0.0609 0.8737 0.032 Uiso 1 1 calc R . . 
C23 C 0.3517(3) 0.4194(3) 0.5499(2) 0.0321(7) Uani 1 1 d . A . 
C21 C 0.1670(3) 0.7003(3) 0.6217(3) 0.0436(8) Uani 1 1 d . A . 
H21 H 0.1642 0.7530 0.6794 0.052 Uiso 1 1 calc R . . 
C16B C 0.253(2) 0.360(2) 0.3710(11) 0.042(4) Uani 0.71(5) 1 d P A 2 
H16B H 0.2523 0.3049 0.3135 0.051 Uiso 0.71(5) 1 calc PR A 2 
C22 C 0.2551(3) 0.5233(3) 0.5427(2) 0.0321(7) Uani 1 1 d . A . 
C15 C 0.3550(4) 0.3335(3) 0.4657(2) 0.0458(9) Uani 1 1 d . . . 
C14 C 0.4514(4) 0.2335(4) 0.4766(3) 0.0587(11) Uani 1 1 d . A . 
H14 H 0.4567 0.1743 0.4224 0.070 Uiso 1 1 calc R . . 
C13 C 0.5378(4) 0.2230(3) 0.5670(3) 0.0557(10) Uani 1 1 d . . . 
H13 H 0.6017 0.1566 0.5750 0.067 Uiso 1 1 calc R A . 
C12 C 0.5286(4) 0.3139(3) 0.6474(3) 0.0435(8) Uani 1 1 d . A . 
H12 H 0.5879 0.3065 0.7087 0.052 Uiso 1 1 calc R . . 
C18 C 0.1682(4) 0.5426(3) 0.4507(2) 0.0474(9) Uani 1 1 d . . . 
C20 C 0.0810(4) 0.7290(4) 0.5336(3) 0.0568(10) Uani 1 1 d . . . 
H20 H 0.0240 0.8009 0.5327 0.068 Uiso 1 1 calc R A . 
C17B C 0.164(2) 0.4571(19) 0.3659(10) 0.048(3) Uani 0.71(5) 1 d P A 2 
H17B H 0.1013 0.4678 0.3067 0.058 Uiso 0.71(5) 1 calc PR A 2 
C19 C 0.0814(4) 0.6509(4) 0.4494(3) 0.0592(11) Uani 1 1 d . A . 
H19 H 0.0238 0.6689 0.3903 0.071 Uiso 1 1 calc R . . 
H7 H 0.478(4) 0.785(3) 0.759(2) 0.041(10) Uiso 1 1 d . . . 
C17A C 0.204(6) 0.434(5) 0.369(3) 0.048(3) Uani 0.29(5) 1 d P A 1 
H17A H 0.1597 0.4431 0.3042 0.058 Uiso 0.29(5) 1 calc PR A 1 
C16A C 0.290(4) 0.329(4) 0.381(3) 0.042(4) Uani 0.29(5) 1 d P A 1 
H16A H 0.2972 0.2639 0.3304 0.051 Uiso 0.29(5) 1 calc PR A 1 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Cu1 O7 1.896(2) . ? 
Cu1 O1 1.9745(17) . ? 
Cu1 O5 1.9808(17) 1_565 ? 
Cu1 N3 2.041(2) 2_667 ? 
Cu2 O7 1.9357(19) . ? 
Cu2 O3 2.0029(17) 1_455 ? 
Cu2 N4 2.099(2) . ? 
Cu2 N5 2.173(2) . ? 
Cu2 O2 2.1848(18) . ? 
O5 C11 1.273(3) . ? 
O5 Cu1 1.9808(17) 1_545 ? 
O1 C1 1.264(3) . ? 
O3 C10 1.264(3) . ? 
O3 Cu2 2.0028(17) 1_655 ? 
O2 C1 1.243(3) . ? 
O6 C11 1.225(3) . ? 
O4 C10 1.230(3) . ? 
N5 C21 1.329(4) . ? 
N5 C22 1.351(4) . ? 
N1 C8 1.327(3) . ? 
N1 N2 1.365(3) . ? 
N1 C7 1.432(3) . ? 
N3 C8 1.328(3) . ? 
N3 C9 1.359(3) . ? 
N3 Cu1 2.041(2) 2_667 ? 
N4 C12 1.324(4) . ? 
N4 C23 1.362(4) . ? 
N2 C9 1.309(3) . ? 
C4 C5 1.386(3) . ? 
C4 C3 1.388(3) . ? 
C4 C10 1.516(3) . ? 
C1 C2 1.521(3) . ? 
C3 C2 1.390(3) . ? 
C6 C5 1.385(3) . ? 
C6 C7 1.395(3) . ? 
C6 C11 1.520(3) . ? 
C7 C2 1.405(3) . ? 
C23 C15 1.399(4) . ? 
C23 C22 1.430(4) . ? 
C21 C20 1.391(5) . ? 
C16B C17B 1.326(14) . ? 
C16B C15 1.52(2) . ? 
C22 C18 1.409(4) . ? 
C15 C16A 1.21(4) . ? 
C15 C14 1.400(5) . ? 
C14 C13 1.366(6) . ? 
C13 C12 1.400(5) . ? 
C18 C17B 1.387(18) . ? 
C18 C19 1.406(5) . ? 
C18 C17A 1.62(5) . ? 
C20 C19 1.353(6) . ? 
C17A C16A 1.37(4) . ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O7 Cu1 O1 106.69(8) . . ? 
O7 Cu1 O5 122.00(8) . 1_565 ? 
O1 Cu1 O5 113.47(8) . 1_565 ? 
O7 Cu1 N3 103.61(9) . 2_667 ? 
O1 Cu1 N3 111.36(8) . 2_667 ? 
O5 Cu1 N3 98.81(8) 1_565 2_667 ? 
O7 Cu2 O3 111.08(8) . 1_455 ? 
O7 Cu2 N4 124.36(9) . . ? 
O3 Cu2 N4 124.31(8) 1_455 . ? 
O7 Cu2 N5 93.54(9) . . ? 
O3 Cu2 N5 94.99(8) 1_455 . ? 
N4 Cu2 N5 77.85(9) . . ? 
O7 Cu2 O2 87.43(8) . . ? 
O3 Cu2 O2 95.97(7) 1_455 . ? 
N4 Cu2 O2 91.59(8) . . ? 
N5 Cu2 O2 167.84(8) . . ? 
C11 O5 Cu1 112.14(16) . 1_545 ? 
C1 O1 Cu1 117.13(15) . . ? 
Cu1 O7 Cu2 123.17(11) . . ? 
C10 O3 Cu2 110.64(15) . 1_655 ? 
C1 O2 Cu2 137.41(16) . . ? 
C21 N5 C22 118.5(3) . . ? 
C21 N5 Cu2 128.8(2) . . ? 
C22 N5 Cu2 112.65(19) . . ? 
C8 N1 N2 109.75(19) . . ? 
C8 N1 C7 129.0(2) . . ? 
N2 N1 C7 121.22(19) . . ? 
C8 N3 C9 103.9(2) . . ? 
C8 N3 Cu1 125.18(18) . 2_667 ? 
C9 N3 Cu1 130.54(17) . 2_667 ? 
C12 N4 C23 118.3(3) . . ? 
C12 N4 Cu2 127.2(2) . . ? 
C23 N4 Cu2 114.39(18) . . ? 
C9 N2 N1 103.4(2) . . ? 
C5 C4 C3 119.5(2) . . ? 
C5 C4 C10 119.1(2) . . ? 
C3 C4 C10 121.1(2) . . ? 
O2 C1 O1 126.0(2) . . ? 
O2 C1 C2 117.9(2) . . ? 
O1 C1 C2 116.0(2) . . ? 
C4 C3 C2 121.0(2) . . ? 
C5 C6 C7 118.7(2) . . ? 
C5 C6 C11 118.2(2) . . ? 
C7 C6 C11 123.1(2) . . ? 
O4 C10 O3 123.8(2) . . ? 
O4 C10 C4 118.5(2) . . ? 
O3 C10 C4 117.6(2) . . ? 
C6 C5 C4 121.0(2) . . ? 
C6 C7 C2 121.3(2) . . ? 
C6 C7 N1 118.9(2) . . ? 
C2 C7 N1 119.8(2) . . ? 
C3 C2 C7 118.0(2) . . ? 
C3 C2 C1 118.2(2) . . ? 
C7 C2 C1 123.0(2) . . ? 
O6 C11 O5 124.2(2) . . ? 
O6 C11 C6 118.5(2) . . ? 
O5 C11 C6 117.3(2) . . ? 
N1 C8 N3 109.5(2) . . ? 
N2 C9 N3 113.5(2) . . ? 
N4 C23 C15 122.5(3) . . ? 
N4 C23 C22 117.8(2) . . ? 
C15 C23 C22 119.7(3) . . ? 
N5 C21 C20 122.7(3) . . ? 
C17B C16B C15 123.6(13) . . ? 
N5 C22 C18 122.6(3) . . ? 
N5 C22 C23 117.3(2) . . ? 
C18 C22 C23 120.2(3) . . ? 
C16A C15 C23 132(2) . . ? 
C16A C15 C14 111(2) . . ? 
C23 C15 C14 117.5(3) . . ? 
C16A C15 C16B 16.1(19) . . ? 
C23 C15 C16B 115.8(8) . . ? 
C14 C15 C16B 126.7(8) . . ? 
C13 C14 C15 119.9(3) . . ? 
C14 C13 C12 119.0(3) . . ? 
N4 C12 C13 122.7(3) . . ? 
C17B C18 C19 121.3(9) . . ? 
C17B C18 C22 122.0(9) . . ? 
C19 C18 C22 116.6(3) . . ? 
C17B C18 C17A 14.9(15) . . ? 
C19 C18 C17A 135.4(18) . . ? 
C22 C18 C17A 107.9(18) . . ? 
C19 C20 C21 119.1(3) . . ? 
C16B C17B C18 118.6(12) . . ? 
C20 C19 C18 120.5(3) . . ? 
C16A C17A C18 129(4) . . ? 
C15 C16A C17A 111(4) . . ? 
 
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
O7 Cu1 O1 C1 -34.3(2) . . . . ? 
O5 Cu1 O1 C1 -171.45(17) 1_565 . . . ? 
N3 Cu1 O1 C1 78.11(19) 2_667 . . . ? 
O1 Cu1 O7 Cu2 42.29(14) . . . . ? 
O5 Cu1 O7 Cu2 174.95(10) 1_565 . . . ? 
N3 Cu1 O7 Cu2 -75.35(14) 2_667 . . . ? 
O3 Cu2 O7 Cu1 77.75(14) 1_455 . . . ? 
N4 Cu2 O7 Cu1 -107.83(14) . . . . ? 
N5 Cu2 O7 Cu1 174.48(13) . . . . ? 
O2 Cu2 O7 Cu1 -17.66(13) . . . . ? 
O7 Cu2 O2 C1 -32.0(3) . . . . ? 
O3 Cu2 O2 C1 -142.9(3) 1_455 . . . ? 
N4 Cu2 O2 C1 92.3(3) . . . . ? 
N5 Cu2 O2 C1 62.9(5) . . . . ? 
O7 Cu2 N5 C21 -52.1(3) . . . . ? 
O3 Cu2 N5 C21 59.4(2) 1_455 . . . ? 
N4 Cu2 N5 C21 -176.5(3) . . . . ? 
O2 Cu2 N5 C21 -146.4(3) . . . . ? 
O7 Cu2 N5 C22 124.47(18) . . . . ? 
O3 Cu2 N5 C22 -123.99(18) 1_455 . . . ? 
N4 Cu2 N5 C22 0.07(17) . . . . ? 
O2 Cu2 N5 C22 30.2(4) . . . . ? 
O7 Cu2 N4 C12 95.8(2) . . . . ? 
O3 Cu2 N4 C12 -90.5(2) 1_455 . . . ? 
N5 Cu2 N4 C12 -178.3(2) . . . . ? 
O2 Cu2 N4 C12 7.8(2) . . . . ? 
O7 Cu2 N4 C23 -87.44(19) . . . . ? 
O3 Cu2 N4 C23 86.25(19) 1_455 . . . ? 
N5 Cu2 N4 C23 -1.50(17) . . . . ? 
O2 Cu2 N4 C23 -175.42(17) . . . . ? 
C8 N1 N2 C9 0.0(3) . . . . ? 
C7 N1 N2 C9 179.4(2) . . . . ? 
Cu2 O2 C1 O1 46.7(4) . . . . ? 
Cu2 O2 C1 C2 -128.6(2) . . . . ? 
Cu1 O1 C1 O2 -3.7(3) . . . . ? 
Cu1 O1 C1 C2 171.66(15) . . . . ? 
C5 C4 C3 C2 -3.0(4) . . . . ? 
C10 C4 C3 C2 171.2(2) . . . . ? 
Cu2 O3 C10 O4 8.9(3) 1_655 . . . ? 
Cu2 O3 C10 C4 -168.05(16) 1_655 . . . ? 
C5 C4 C10 O4 15.0(4) . . . . ? 
C3 C4 C10 O4 -159.2(3) . . . . ? 
C5 C4 C10 O3 -167.9(2) . . . . ? 
C3 C4 C10 O3 17.9(3) . . . . ? 
C7 C6 C5 C4 4.3(4) . . . . ? 
C11 C6 C5 C4 -178.7(2) . . . . ? 
C3 C4 C5 C6 -2.5(4) . . . . ? 
C10 C4 C5 C6 -176.9(2) . . . . ? 
C5 C6 C7 C2 -0.6(4) . . . . ? 
C11 C6 C7 C2 -177.5(2) . . . . ? 
C5 C6 C7 N1 177.3(2) . . . . ? 
C11 C6 C7 N1 0.4(4) . . . . ? 
C8 N1 C7 C6 126.2(3) . . . . ? 
N2 N1 C7 C6 -53.0(3) . . . . ? 
C8 N1 C7 C2 -55.9(3) . . . . ? 
N2 N1 C7 C2 124.9(2) . . . . ? 
C4 C3 C2 C7 6.5(3) . . . . ? 
C4 C3 C2 C1 -163.9(2) . . . . ? 
C6 C7 C2 C3 -4.7(3) . . . . ? 
N1 C7 C2 C3 177.5(2) . . . . ? 
C6 C7 C2 C1 165.1(2) . . . . ? 
N1 C7 C2 C1 -12.7(3) . . . . ? 
O2 C1 C2 C3 143.7(2) . . . . ? 
O1 C1 C2 C3 -32.0(3) . . . . ? 
O2 C1 C2 C7 -26.1(3) . . . . ? 
O1 C1 C2 C7 158.2(2) . . . . ? 
Cu1 O5 C11 O6 -18.4(3) 1_545 . . . ? 
Cu1 O5 C11 C6 163.11(17) 1_545 . . . ? 
C5 C6 C11 O6 -45.6(3) . . . . ? 
C7 C6 C11 O6 131.3(3) . . . . ? 
C5 C6 C11 O5 133.0(2) . . . . ? 
C7 C6 C11 O5 -50.1(3) . . . . ? 
N2 N1 C8 N3 -0.4(3) . . . . ? 
C7 N1 C8 N3 -179.7(2) . . . . ? 
C9 N3 C8 N1 0.6(3) . . . . ? 
Cu1 N3 C8 N1 174.18(16) 2_667 . . . ? 
N1 N2 C9 N3 0.4(3) . . . . ? 
C8 N3 C9 N2 -0.6(3) . . . . ? 
Cu1 N3 C9 N2 -173.71(18) 2_667 . . . ? 
C12 N4 C23 C15 -1.1(4) . . . . ? 
Cu2 N4 C23 C15 -178.2(2) . . . . ? 
C12 N4 C23 C22 179.8(2) . . . . ? 
Cu2 N4 C23 C22 2.7(3) . . . . ? 
C22 N5 C21 C20 -0.9(4) . . . . ? 
Cu2 N5 C21 C20 175.6(2) . . . . ? 
C21 N5 C22 C18 -1.0(4) . . . . ? 
Cu2 N5 C22 C18 -178.0(2) . . . . ? 
C21 N5 C22 C23 178.3(2) . . . . ? 
Cu2 N5 C22 C23 1.3(3) . . . . ? 
N4 C23 C22 N5 -2.8(4) . . . . ? 
C15 C23 C22 N5 178.1(2) . . . . ? 
N4 C23 C22 C18 176.6(2) . . . . ? 
C15 C23 C22 C18 -2.5(4) . . . . ? 
N4 C23 C15 C16A -178(2) . . . . ? 
C22 C23 C15 C16A 1(2) . . . . ? 
N4 C23 C15 C14 0.9(4) . . . . ? 
C22 C23 C15 C14 180.0(3) . . . . ? 
N4 C23 C15 C16B -178.7(5) . . . . ? 
C22 C23 C15 C16B 0.4(6) . . . . ? 
C17B C16B C15 C16A -177(9) . . . . ? 
C17B C16B C15 C23 -0.2(16) . . . . ? 
C17B C16B C15 C14 -179.7(12) . . . . ? 
C16A C15 C14 C13 178.7(19) . . . . ? 
C23 C15 C14 C13 -0.1(5) . . . . ? 
C16B C15 C14 C13 179.4(6) . . . . ? 
C15 C14 C13 C12 -0.4(5) . . . . ? 
C23 N4 C12 C13 0.5(4) . . . . ? 
Cu2 N4 C12 C13 177.2(2) . . . . ? 
C14 C13 C12 N4 0.2(5) . . . . ? 
N5 C22 C18 C17B -176.0(9) . . . . ? 
C23 C22 C18 C17B 4.6(9) . . . . ? 
N5 C22 C18 C19 2.1(4) . . . . ? 
C23 C22 C18 C19 -177.2(3) . . . . ? 
N5 C22 C18 C17A 178.7(18) . . . . ? 
C23 C22 C18 C17A -0.6(19) . . . . ? 
N5 C21 C20 C19 1.6(5) . . . . ? 
C15 C16B C17B C18 2(2) . . . . ? 
C19 C18 C17B C16B 177.6(11) . . . . ? 
C22 C18 C17B C16B -4.3(19) . . . . ? 
C17A C18 C17B C16B 15(8) . . . . ? 
C21 C20 C19 C18 -0.4(5) . . . . ? 
C17B C18 C19 C20 176.8(9) . . . . ? 
C22 C18 C19 C20 -1.4(5) . . . . ? 
C17A C18 C19 C20 -177(2) . . . . ? 
C17B C18 C17A C16A -156(14) . . . . ? 
C19 C18 C17A C16A -178(4) . . . . ? 
C22 C18 C17A C16A 6(6) . . . . ? 
C23 C15 C16A C17A 3(5) . . . . ? 
C14 C15 C16A C17A -175(3) . . . . ? 
C16B C15 C16A C17A 7(5) . . . . ? 
C18 C17A C16A C15 -7(7) . . . . ? 
 
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.285 
_refine_diff_density_min   -0.497 
_refine_diff_density_rms    0.075 
